CID 84696285

1637490-69-7

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
C1COC2=C(O1)C=CC(=C2Br)F
InChI
InChI=1S/C8H6BrFO2/c9-7-5(10)1-2-6-8(7)12-4-3-11-6/h1-2H,3-4H2
InChIKey
XESXMEWTTOZACV-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

231.95352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.960796 140.6
[M+Na]+ 254.942738 152.6
[M-H]- 230.946244 147.8
[M+NH4]+ 249.987343 160.9
[M+K]+ 270.916678 144.6
[M+H-H2O]+ 214.950780 140.4
[M+HCOO]- 276.951721 157.7
[M+CH3COO]- 290.967371 156.0
[M+Na-2H]- 252.928186 150.7
[M]+ 231.95297142 158.5
[M]- 231.95406858 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe